Theoretical study of the Wanzlick equilibrium

Mu Jeng Cheng; Chun Liang Lai; Ching Han Hu

doi:10.1080/00268970412331292911

Theoretical study of the Wanzlick equilibrium

Mu Jeng Cheng, Chun Liang Lai, Ching Han Hu

化學系

研究成果: Article › 同行評審

10 引文斯高帕斯（Scopus）

摘要

A theoretical study of the tetraaminoethylene-diaminocarbene dissociation reaction shows that equilibrium is more readily attained for benzimidazol-2-ylidenes and doubly bridged imidazol-2-ylidenes. For imidazolin-2-ylidenes, the 'Wanzlick equilibrium' is less likely to occur due to the high reaction barrier. We demonstrate that the equilibrium reaction can be catalyzed by an electrophile.

原文	English
頁（從 - 到）	2617-2621
頁數	5
期刊	Molecular Physics
卷	102
發行號	23-24
DOIs	https://doi.org/10.1080/00268970412331292911
出版狀態	Published - 2004 十二月 10

All Science Journal Classification (ASJC) codes

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/00268970412331292911

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引用此

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author = "Cheng, {Mu Jeng} and Lai, {Chun Liang} and Hu, {Ching Han}",

note = "Funding Information: This work was supported by the National Science Council of Taiwan, Republic of China. We thank the National Center for High-performance Computing for computer time and facilities. Copyright: Copyright 2008 Elsevier B.V., All rights reserved.",

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AU - Lai, Chun Liang

AU - Hu, Ching Han

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N2 - A theoretical study of the tetraaminoethylene-diaminocarbene dissociation reaction shows that equilibrium is more readily attained for benzimidazol-2-ylidenes and doubly bridged imidazol-2-ylidenes. For imidazolin-2-ylidenes, the 'Wanzlick equilibrium' is less likely to occur due to the high reaction barrier. We demonstrate that the equilibrium reaction can be catalyzed by an electrophile.

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